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α-Glucosyl Hesperidin

CAT: 0013-GTR19243009-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243009-01Size:10 mg
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Description
α-Glucosyl Hesperidin is a naturally derived small molecule for scientific research. It is utilized in life sciences studies, including in vitro and in vivo experiments investigating its potential bioactive properties as a flavonoid derivative.
CAS Number
161713-86-6
Smiles
O=C1C=2C (O[C@@H] (C1) C3=CC (O) =C (OC) C=C3) =CC (O[C@@H]4O[C@H] (CO[C@H]5[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O5) [C@@H] (O[C@H]6O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]6O) [C@H] (O) [C@H]4O) =CC2O
Molecular Formula
C34H44O20
Molecular Weight
772.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-Glucosyl Hesperidin

See also: Glucosyl hesperidin (annotation moved to) ... View More ...

CAS Number161713-86-6
PubChem CID53477097
IUPAC Name(2S)-7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC34H44O20
Molecular Weight772.7
XLogP-2.7
Topological Polar Surface Area313
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count10
Heavy Atom Count54
Formal Charge0
Complexity1230
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O
InChI
InChI=1S/C34H44O20/c1-11-23(39)25(41)28(44)32(49-11)48-10-21-31(54-34-29(45)26(42)24(40)20(9-35)52-34)27(43)30(46)33(53-21)50-13-6-15(37)22-16(38)8-18(51-19(22)7-13)12-3-4-17(47-2)14(36)5-12/h3-7,11,18,20-21,23-37,39-46H,8-10H2,1-2H3/t11-,18-,20+,21+,23-,24+,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+/m0/s1
InChIKey
IMMBLRJLSYJQIZ-RBWYFKFWSA-N
Chemical Structure
2D Structure
2D structure of alpha-Glucosyl Hesperidin
CAS: 161713-86-6
CID: 53477097
Formula: C34H44O20
MW: 772.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight772.7
XLogP3-2.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count10
Exact Mass772.24259379
Monoisotopic Mass772.24259379
Topological Polar Surface Area313 Ų
Heavy Atom Count54
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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